#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 s LYS 2 N 0.00 2.61 -0.01 5.31 -0.14 -1.26 -4.84 119.74 121.42 2k45 s LYS 2 Ca 0.00 -2.45 0.05 0.00 -1.36 0.00 0.00 55.97 52.21 2k45 s LYS 2 Cb 0.00 -3.79 -0.24 0.00 -1.68 0.00 0.00 37.83 32.12 2k45 s LYS 2 CO 0.00 -1.18 0.81 1.37 -0.76 0.00 0.00 175.35 175.59 2k45 h LEU 3 N 7.22 0.16 0.00 3.17 -0.00 -1.86 -3.29 115.31 120.72 2k45 h LEU 3 Ca -0.02 -0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k45 h LEU 3 Cb 0.97 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2k45 h LEU 3 CO 0.72 1.22 0.00 0.61 -0.00 0.00 0.00 178.44 180.99 2k45 n GLY 4 N 1.59 -0.93 3.18 0.17 0.00 -1.22 -3.97 105.19 104.02 2k45 n GLY 4 Ca -0.15 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 0.88 -0.30 1.61 1.02 -1.23 -1.51 119.74 120.21 2k45 s LYS 5 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.71 2k45 s LYS 5 Cb 0.00 0.27 0.14 0.00 -0.52 0.00 0.00 37.83 37.72 2k45 s LYS 5 CO 0.00 -0.26 0.30 -1.17 -0.92 0.00 0.00 175.35 173.30 2k45 s LEU 6 N -2.98 -0.16 -0.22 3.17 2.96 -1.23 -0.89 118.68 119.33 2k45 s LEU 6 Ca 0.16 -0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 53.08 2k45 s LEU 6 Cb 0.06 0.46 -0.02 0.00 0.50 0.00 0.00 46.19 47.19 2k45 s LEU 6 CO -0.03 -0.37 0.02 0.00 -1.32 0.00 0.00 176.35 174.65 2k45 s GLN 7 N 2.18 3.60 0.00 1.98 0.00 -1.14 -3.26 119.66 123.02 2k45 s GLN 7 Ca 0.11 -0.52 0.00 0.00 -0.00 0.00 0.00 55.36 54.95 2k45 s GLN 7 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 33.01 29.71 2k45 s GLN 7 CO -0.28 -0.08 0.00 0.98 0.00 0.00 0.00 175.29 175.91 2k45 n TYR 8 N 4.54 0.00 -3.69 9.60 9.36 -1.26 -2.34 117.16 133.38 2k45 n TYR 8 Ca -0.17 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 60.87 2k45 n TYR 8 Cb 0.51 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.06 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2k45 s SER 9 N 1.90 0.82 -0.03 2.98 1.04 -1.06 -1.11 113.70 118.24 2k45 s SER 9 Ca 0.00 0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.65 2k45 s SER 9 Cb 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2k45 s SER 9 CO 0.00 -0.23 -0.25 -0.76 0.98 0.00 0.00 173.24 172.98 2k45 s LEU 10 N 1.99 2.11 0.41 2.42 1.43 0.18 -2.78 118.68 124.43 2k45 s LEU 10 Ca 0.02 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2k45 s LEU 10 Cb -0.12 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2k45 s LEU 10 CO -0.04 0.31 0.08 -0.62 0.23 0.00 0.00 176.35 176.32 2k45 s ASP 11 N -0.56 3.03 -0.09 2.29 -1.08 0.32 0.53 116.67 121.10 2k45 s ASP 11 Ca 0.08 -1.60 -0.03 0.00 -0.52 0.00 0.00 52.55 50.48 2k45 s ASP 11 Cb -0.11 0.36 0.05 0.00 -1.46 0.00 0.00 42.92 41.76 2k45 s ASP 11 CO -0.00 -0.83 0.14 -0.47 0.52 0.00 0.00 175.17 174.52 2k45 s TYR 12 N -3.14 -0.10 -0.34 -5.34 5.04 -1.23 0.13 117.35 112.37 2k45 s TYR 12 Ca 0.23 0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 55.15 2k45 s TYR 12 Cb 0.04 -0.35 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 2k45 s TYR 12 CO 0.12 -0.29 0.32 0.34 -1.34 0.00 0.00 175.55 174.70 2k45 s ASP 13 N 2.26 6.14 0.14 4.32 -1.08 -0.49 -4.95 116.67 123.00 2k45 s ASP 13 Ca 0.04 -0.26 0.19 0.00 -0.52 0.00 0.00 52.55 52.00 2k45 s ASP 13 Cb -0.13 -2.18 -0.06 0.00 -1.46 0.00 0.00 42.92 39.10 2k45 s ASP 13 CO -0.06 -0.29 0.95 2.19 0.52 0.00 0.00 175.17 178.49 2k45 h PHE 14 N 8.46 0.00 -0.43 -5.34 -5.15 -1.95 0.53 116.94 113.06 2k45 h PHE 14 Ca -0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.46 2k45 h PHE 14 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.32 2k45 h PHE 14 CO 0.69 0.33 0.00 0.00 -2.00 0.00 0.00 178.31 177.33 2k45 n GLN 15 N -2.82 2.00 -0.00 6.09 -0.00 -1.26 -1.42 117.38 119.97 2k45 n GLN 15 Ca -0.05 -1.55 0.05 0.00 -0.00 0.00 0.00 57.00 55.45 2k45 n GLN 15 Cb 0.71 -1.34 0.04 0.00 -0.00 0.00 0.00 30.24 29.66 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.76 1.81 -3.47 2.61 0.23 -1.24 -5.03 115.26 110.93 2k45 n ASN 16 Ca 0.14 -1.41 -0.22 0.00 -0.53 0.00 0.00 54.58 52.57 2k45 n ASN 16 Cb 0.36 -0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.12 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N 0.54 -5.44 -3.87 0.53 4.05 -0.50 -4.90 115.26 105.67 2k45 n ASN 17 Ca 0.06 -0.83 -0.11 0.00 0.45 0.00 0.00 54.58 54.14 2k45 n ASN 17 Cb 0.24 -4.40 -0.12 0.00 1.23 0.00 0.00 39.78 36.73 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k45 s GLN 18 N -5.19 0.21 0.43 1.20 -2.07 0.11 -1.45 119.66 112.90 2k45 s GLN 18 Ca 0.40 -0.11 -0.16 0.00 -1.82 0.00 0.00 55.36 53.67 2k45 s GLN 18 Cb -0.09 0.09 -0.09 0.00 -1.09 0.00 0.00 33.01 31.83 2k45 s GLN 18 CO 0.79 -0.04 0.88 -0.51 -1.32 0.00 0.00 175.29 175.10 2k45 s LEU 19 N -0.49 3.84 -0.09 2.60 1.43 -0.48 -1.40 118.68 124.08 2k45 s LEU 19 Ca -0.06 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 2k45 s LEU 19 Cb -0.04 -4.33 0.02 0.00 0.03 0.00 0.00 46.19 41.87 2k45 s LEU 19 CO 0.00 -0.41 -0.10 -0.22 0.23 0.00 0.00 176.35 175.85 2k45 s LEU 20 N -3.56 1.40 -0.42 1.79 1.98 0.36 0.03 118.68 120.26 2k45 s LEU 20 Ca 0.57 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.53 2k45 s LEU 20 Cb -0.10 -0.85 0.12 0.00 0.66 0.00 0.00 46.19 46.02 2k45 s LEU 20 CO 0.23 -0.05 0.19 -0.69 -1.89 0.00 0.00 176.35 174.14 2k45 s VAL 21 N 1.26 1.74 -0.56 1.68 1.01 -1.26 0.12 120.40 124.38 2k45 s VAL 21 Ca -0.03 -2.50 -0.14 0.00 0.00 0.00 0.00 61.98 59.30 2k45 s VAL 21 Cb -0.14 -2.24 0.14 0.00 0.00 0.00 0.00 36.38 34.14 2k45 s VAL 21 CO -0.03 -0.78 0.50 -0.83 0.00 0.00 0.00 175.10 173.95 2k45 s GLY 22 N 0.51 2.16 0.00 4.51 0.00 -1.12 -3.21 107.32 110.17 2k45 s GLY 22 Ca 0.15 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.22 2k45 s GLY 22 CO -0.06 1.19 0.00 0.29 0.00 0.00 0.00 173.10 174.52 2k45 n ILE 23 N 5.00 0.00 0.00 0.90 -6.64 -1.26 -2.56 119.36 114.81 2k45 n ILE 23 Ca -0.09 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 60.88 2k45 n ILE 23 Cb 0.41 -0.89 -0.00 0.00 -1.44 0.00 0.00 39.64 37.72 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2k45 n ILE 24 N 0.00 0.20 -3.55 7.28 5.41 -0.99 -1.21 119.36 126.50 2k45 n ILE 24 Ca 0.00 0.19 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 2k45 n ILE 24 Cb 0.00 -1.27 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k45 s GLN 25 N -1.20 1.10 0.04 0.38 0.00 -1.26 0.74 119.66 119.46 2k45 s GLN 25 Ca -0.01 -0.39 0.02 0.00 -0.00 0.00 0.00 55.36 54.97 2k45 s GLN 25 Cb 0.00 0.50 -0.04 0.00 0.00 0.00 0.00 33.01 33.47 2k45 s GLN 25 CO 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 175.29 174.93 2k45 s ALA 26 N -3.05 3.45 -0.14 2.60 0.00 -1.19 -2.87 121.76 120.56 2k45 s ALA 26 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2k45 s ALA 26 Cb -0.00 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.73 2k45 s ALA 26 CO -0.07 0.70 -0.16 0.00 0.00 0.00 0.00 175.76 176.23 2k45 s ALA 27 N -1.25 1.91 -1.14 0.00 0.00 -0.07 -3.11 121.76 118.11 2k45 s ALA 27 Ca 0.25 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2k45 s ALA 27 Cb -0.12 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2k45 s ALA 27 CO 0.16 -0.23 0.96 0.39 0.00 0.00 0.00 175.76 177.05 2k45 n GLU 28 N 4.47 -5.45 -3.22 0.00 -0.58 0.29 -3.56 120.64 112.58 2k45 n GLU 28 Ca -0.18 0.84 -0.27 0.00 -0.42 0.00 0.00 57.16 57.12 2k45 n GLU 28 Cb 0.51 -5.79 -0.02 0.00 -0.57 0.00 0.00 31.44 25.57 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k45 s LEU 29 N -6.04 3.97 0.49 -4.62 1.43 0.98 -4.46 118.68 110.44 2k45 s LEU 29 Ca 0.11 0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 53.68 2k45 s LEU 29 Cb -0.01 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 2k45 s LEU 29 CO 0.72 -0.29 1.06 -0.81 0.23 0.00 0.00 176.35 177.26 2k45 n PRO 30 N -1.39 1.32 -3.00 1.29 -0.04 -1.24 -4.59 135.00 127.36 2k45 n PRO 30 Ca -0.02 0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 63.51 2k45 n PRO 30 Cb 0.55 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.77 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k45 s ALA 31 N -1.35 3.62 -0.25 0.55 0.00 -1.26 -4.49 121.76 118.58 2k45 s ALA 31 Ca 0.68 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.48 2k45 s ALA 31 Cb -0.49 -3.16 0.45 0.00 0.00 0.00 0.00 23.12 19.93 2k45 s ALA 31 CO 0.53 -0.84 1.19 1.28 0.00 0.00 0.00 175.76 177.92 2k45 n LEU 32 N 5.79 3.86 -3.99 0.00 4.77 -0.85 -4.81 117.00 121.78 2k45 n LEU 32 Ca 0.03 -4.26 -0.08 0.00 -0.03 0.00 0.00 56.01 51.66 2k45 n LEU 32 Cb 0.48 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 2k45 n LEU 32 CO 0.45 1.76 -0.26 -0.62 -1.33 0.00 0.00 177.39 177.39 2k45 s ASP 33 N -3.45 0.31 -1.45 -1.43 2.15 -0.66 -4.55 116.67 107.60 2k45 s ASP 33 Ca 0.45 -0.76 -0.14 0.00 0.43 0.00 0.00 52.55 52.53 2k45 s ASP 33 Cb 0.39 0.23 0.05 0.00 -0.30 0.00 0.00 42.92 43.29 2k45 s ASP 33 CO -0.01 -0.58 2.20 0.23 -0.17 0.00 0.00 175.17 176.84 2k45 n MET 34 N 0.36 2.90 -0.03 4.34 2.81 -1.26 -2.86 117.12 123.38 2k45 n MET 34 Ca -0.16 -2.67 0.00 0.00 -1.81 0.00 0.00 57.70 53.06 2k45 n MET 34 Cb 0.60 -3.28 0.00 0.00 -0.71 0.00 0.00 33.22 29.83 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 4.08 0.07 3.86 3.03 0.00 -1.26 -4.94 105.19 110.03 2k45 n GLY 35 Ca 0.51 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.49 3.27 -0.02 0.00 -1.14 -4.97 105.19 101.85 2k45 n GLY 36 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -3.26 0.01 0.22 2.61 -4.23 -1.25 -4.81 115.64 104.93 2k45 s THR 37 Ca 0.64 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.22 2k45 s THR 37 Cb -0.33 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 2k45 s THR 37 CO 0.79 0.00 -0.10 -0.55 -0.54 0.00 0.00 174.62 174.22 2k45 s SER 38 N -3.33 2.50 -0.81 3.99 0.15 -1.26 -1.65 113.70 113.29 2k45 s SER 38 Ca 0.40 -1.09 0.02 0.00 0.70 0.00 0.00 55.95 55.99 2k45 s SER 38 Cb 0.03 -0.12 0.26 0.00 -1.71 0.00 0.00 66.02 64.48 2k45 s SER 38 CO 0.25 -0.26 0.95 0.47 1.20 0.00 0.00 173.24 175.84 2k45 n ASP 39 N -0.43 4.55 -4.73 5.45 8.00 -1.26 -0.84 116.55 127.30 2k45 n ASP 39 Ca -0.07 -3.37 -0.38 0.00 0.71 0.00 0.00 54.79 51.68 2k45 n ASP 39 Cb 0.62 -0.91 0.05 0.00 -0.02 0.00 0.00 41.12 40.86 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k45 n PRO 40 N 1.28 1.41 -3.64 -0.24 -0.02 -1.22 -2.94 135.00 129.64 2k45 n PRO 40 Ca 0.27 0.53 -0.06 0.00 -2.02 0.00 0.00 63.50 62.22 2k45 n PRO 40 Cb 0.38 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 2k45 n PRO 40 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2k45 s TYR 41 N -1.34 -0.76 -0.26 6.00 -0.85 -0.61 -2.38 117.35 117.15 2k45 s TYR 41 Ca 0.76 1.58 -0.18 0.00 -0.52 0.00 0.00 57.07 58.72 2k45 s TYR 41 Cb -0.40 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 2k45 s TYR 41 CO 0.46 -0.38 0.51 0.14 -1.52 0.00 0.00 175.55 174.76 2k45 s VAL 42 N 1.21 5.07 -0.18 -3.49 -7.23 -1.26 0.85 120.40 115.37 2k45 s VAL 42 Ca -0.07 0.88 -0.26 0.00 -1.81 0.00 0.00 61.98 60.72 2k45 s VAL 42 Cb -0.04 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.06 2k45 s VAL 42 CO -0.14 0.09 0.87 -0.54 -0.31 0.00 0.00 175.10 175.07 2k45 s LYS 43 N 2.26 4.28 -0.23 4.82 1.02 0.29 -3.61 119.74 128.57 2k45 s LYS 43 Ca 0.21 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.29 2k45 s LYS 43 Cb -0.16 -3.59 0.05 0.00 -0.52 0.00 0.00 37.83 33.61 2k45 s LYS 43 CO 0.09 -0.39 -0.13 0.08 -0.92 0.00 0.00 175.35 174.08 2k45 s VAL 44 N 2.36 2.03 0.29 3.17 1.01 -1.24 0.37 120.40 128.40 2k45 s VAL 44 Ca 0.39 -1.32 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2k45 s VAL 44 Cb -0.16 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2k45 s VAL 44 CO 0.11 0.17 0.45 0.72 0.00 0.00 0.00 175.10 176.55 2k45 s PHE 45 N 1.21 0.80 0.29 5.22 -0.71 -0.46 -3.22 117.98 121.12 2k45 s PHE 45 Ca -0.04 -1.09 0.11 0.00 -1.04 0.00 0.00 56.93 54.87 2k45 s PHE 45 Cb -0.17 -0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.57 2k45 s PHE 45 CO -0.08 -1.04 -0.14 -0.51 -1.34 0.00 0.00 175.22 172.11 2k45 s LEU 46 N -3.15 2.73 0.30 -1.99 1.02 -1.26 -0.66 118.68 115.68 2k45 s LEU 46 Ca 0.28 -0.99 -0.28 0.00 0.02 0.00 0.00 54.13 53.17 2k45 s LEU 46 Cb 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 46.19 44.92 2k45 s LEU 46 CO 0.15 -0.02 1.01 -0.22 0.02 0.00 0.00 176.35 177.30 2k45 s LEU 47 N -3.56 4.44 0.00 1.79 2.96 -0.19 -3.96 118.68 120.15 2k45 s LEU 47 Ca 0.31 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 2k45 s LEU 47 Cb -0.04 -3.83 0.00 0.00 0.50 0.00 0.00 46.19 42.82 2k45 s LEU 47 CO 0.16 -0.12 0.00 -2.65 -1.32 0.00 0.00 176.35 172.42 2k45 n PRO 48 N 0.86 0.00 -0.04 0.98 -0.02 -1.26 -3.95 135.00 131.57 2k45 n PRO 48 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 2k45 n PRO 48 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.95 2k45 n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k45 h ASP 49 N 0.00 0.00 -4.84 2.55 3.58 -1.98 -3.49 116.42 112.24 2k45 h ASP 49 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2k45 h ASP 49 Cb 0.00 0.00 0.15 0.00 1.72 0.00 0.00 39.33 41.20 2k45 h ASP 49 CO 0.00 0.41 -0.64 1.17 -2.88 0.00 0.00 179.24 177.30 2k45 n LYS 50 N -3.74 -2.33 -0.53 0.28 0.00 -1.25 -4.89 118.16 105.68 2k45 n LYS 50 Ca -0.03 0.66 -0.02 0.00 0.00 0.00 0.00 58.31 58.92 2k45 n LYS 50 Cb 0.10 -4.84 0.17 0.00 0.00 0.00 0.00 35.03 30.46 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k45 n LYS 51 N -2.92 2.53 -3.46 1.64 4.76 -1.26 -4.75 118.16 114.71 2k45 n LYS 51 Ca -0.08 -1.62 -0.26 0.00 -2.87 0.00 0.00 58.31 53.47 2k45 n LYS 51 Cb 0.60 -1.80 -0.12 0.00 -1.84 0.00 0.00 35.03 31.87 2k45 n LYS 51 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k45 s LYS 52 N -1.85 0.45 -0.70 1.97 2.47 -1.26 -4.45 119.74 116.37 2k45 s LYS 52 Ca 0.29 -0.96 -0.20 0.00 -1.56 0.00 0.00 55.97 53.54 2k45 s LYS 52 Cb 0.23 -1.12 0.11 0.00 -1.46 0.00 0.00 37.83 35.58 2k45 s LYS 52 CO 0.07 -1.15 0.88 0.15 0.16 0.00 0.00 175.35 175.47 2k45 s LYS 53 N 1.49 3.23 0.47 4.03 1.02 -1.26 -3.97 119.74 124.74 2k45 s LYS 53 Ca 0.15 -1.36 0.06 0.00 0.02 0.00 0.00 55.97 54.84 2k45 s LYS 53 Cb -0.19 -4.41 -0.02 0.00 -0.52 0.00 0.00 37.83 32.69 2k45 s LYS 53 CO -0.12 -1.66 0.23 0.12 -0.92 0.00 0.00 175.35 173.01 2k45 s PHE 54 N 2.91 2.22 -0.24 3.18 5.36 -1.20 -5.03 117.98 125.19 2k45 s PHE 54 Ca 0.20 -0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 55.41 2k45 s PHE 54 Cb -0.17 -1.91 0.12 0.00 -0.34 0.00 0.00 43.02 40.73 2k45 s PHE 54 CO 0.03 -0.02 0.46 -2.00 -1.46 0.00 0.00 175.22 172.23 2k45 s GLU 55 N -4.03 0.40 0.66 10.12 2.56 -1.26 -3.70 118.70 123.45 2k45 s GLU 55 Ca 0.34 0.93 -0.15 0.00 0.00 0.00 0.00 54.97 56.10 2k45 s GLU 55 Cb 0.01 0.18 0.00 0.00 2.00 0.00 0.00 34.13 36.33 2k45 s GLU 55 CO 0.20 -0.42 1.11 0.95 -0.56 0.00 0.00 175.26 176.54 2k45 s THR 56 N 2.66 3.28 0.60 -1.70 -4.23 -1.24 -4.91 115.64 110.11 2k45 s THR 56 Ca 0.05 0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 2k45 s THR 56 Cb -0.13 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 2k45 s THR 56 CO -0.16 -0.38 1.18 -0.75 -0.54 0.00 0.00 174.62 173.97 2k45 s LYS 57 N -4.15 2.96 0.01 3.99 2.20 -1.26 -4.80 119.74 118.69 2k45 s LYS 57 Ca 0.66 1.71 -0.30 0.00 -0.36 0.00 0.00 55.97 57.68 2k45 s LYS 57 Cb -0.20 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.13 2k45 s LYS 57 CO 0.42 -1.18 1.16 0.08 -0.36 0.00 0.00 175.35 175.47 2k45 s VAL 58 N -1.77 4.26 -0.95 4.02 1.01 -1.26 -4.78 120.40 120.93 2k45 s VAL 58 Ca 0.75 1.61 -0.10 0.00 0.00 0.00 0.00 61.98 64.23 2k45 s VAL 58 Cb -0.27 -4.03 0.24 0.00 0.00 0.00 0.00 36.38 32.32 2k45 s VAL 58 CO 0.34 0.09 0.90 -1.00 0.00 0.00 0.00 175.10 175.43 2k45 s HIS 59 N 1.41 3.98 0.02 5.22 0.09 -1.00 -5.01 115.29 120.00 2k45 s HIS 59 Ca 0.57 -2.44 -0.30 0.00 -0.00 0.00 0.00 55.06 52.88 2k45 s HIS 59 Cb -0.26 -3.74 -0.06 0.00 -0.00 0.00 0.00 32.58 28.51 2k45 s HIS 59 CO 0.27 -0.94 1.40 1.03 -0.00 0.00 0.00 174.74 176.49 2k45 s ARG 60 N -0.62 4.29 -0.97 1.40 1.81 -1.26 -3.39 118.95 120.21 2k45 s ARG 60 Ca 0.24 1.98 -0.01 0.00 -1.72 0.00 0.00 55.73 56.22 2k45 s ARG 60 Cb -0.10 -3.52 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 2k45 s ARG 60 CO -0.09 -0.54 0.81 1.63 -0.68 0.00 0.00 175.30 176.43 2k45 n LYS 61 N 5.11 -4.83 -3.66 3.54 4.76 -0.85 -4.97 118.16 117.26 2k45 n LYS 61 Ca 0.13 0.70 -0.06 0.00 -2.87 0.00 0.00 58.31 56.21 2k45 n LYS 61 Cb 0.43 -5.24 -0.07 0.00 -1.84 0.00 0.00 35.03 28.31 2k45 n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k45 s THR 62 N -3.30 -0.45 -0.51 -0.18 -1.32 -0.02 -4.81 115.64 105.05 2k45 s THR 62 Ca 0.07 0.05 0.24 0.00 -1.21 0.00 0.00 61.69 60.84 2k45 s THR 62 Cb -0.01 -0.86 0.23 0.00 -1.51 0.00 0.00 72.50 70.35 2k45 s THR 62 CO 0.60 0.02 1.51 -0.07 -2.21 0.00 0.00 174.62 174.48 2k45 h LEU 63 N 7.58 0.00 -6.39 9.08 3.38 -1.81 -3.37 115.31 123.78 2k45 h LEU 63 Ca -0.24 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.10 2k45 h LEU 63 Cb 1.16 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 2k45 h LEU 63 CO 0.16 0.01 -0.74 -3.20 0.09 0.00 0.00 178.44 174.76 2k45 n ASN 64 N -2.68 2.32 -4.83 -0.43 4.05 -1.26 -0.01 115.26 112.42 2k45 n ASN 64 Ca 0.04 -3.10 -0.37 0.00 0.45 0.00 0.00 54.58 51.60 2k45 n ASN 64 Cb 0.50 -0.67 -0.06 0.00 1.23 0.00 0.00 39.78 40.78 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -1.66 4.07 -0.23 1.20 0.05 -1.18 -4.80 135.00 132.45 2k45 s PRO 65 Ca 0.34 0.59 -0.00 0.00 0.05 0.00 0.00 61.00 61.98 2k45 s PRO 65 Cb 0.09 -3.07 0.06 0.00 0.05 0.00 0.00 34.50 31.63 2k45 s PRO 65 CO -0.09 0.56 -0.01 0.54 0.05 0.00 0.00 177.00 178.04 2k45 s VAL 66 N -1.29 1.18 -0.23 -0.36 0.11 -1.26 -3.16 120.40 115.39 2k45 s VAL 66 Ca 0.33 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2k45 s VAL 66 Cb -0.17 -1.57 -0.19 0.00 -1.53 0.00 0.00 36.38 32.93 2k45 s VAL 66 CO 0.19 -0.19 -0.09 0.33 -3.33 0.00 0.00 175.10 172.00 2k45 n PHE 67 N 4.79 0.30 -3.19 1.54 -0.00 0.10 -4.94 117.46 116.07 2k45 n PHE 67 Ca -0.10 0.07 -0.13 0.00 -0.00 0.00 0.00 57.45 57.28 2k45 n PHE 67 Cb 0.45 -1.04 0.06 0.00 -0.00 0.00 0.00 39.48 38.95 2k45 n PHE 67 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2k45 n ASN 68 N -3.35 -6.65 -3.24 -2.13 3.02 0.23 -4.99 115.26 98.14 2k45 n ASN 68 Ca -0.43 -0.63 -0.03 0.00 -0.03 0.00 0.00 54.58 53.45 2k45 n ASN 68 Cb 1.00 -5.11 -0.03 0.00 -0.61 0.00 0.00 39.78 35.02 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k45 s GLU 69 N -4.23 0.60 -0.13 3.52 2.12 -0.35 -4.83 118.70 115.41 2k45 s GLU 69 Ca 0.41 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.72 2k45 s GLU 69 Cb -0.05 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.22 2k45 s GLU 69 CO 0.72 -1.11 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.13 2k45 s GLN 70 N 2.28 3.44 -0.41 4.30 -0.44 -1.25 -4.42 119.66 123.16 2k45 s GLN 70 Ca 0.12 -0.57 -0.03 0.00 -2.50 0.00 0.00 55.36 52.39 2k45 s GLN 70 Cb -0.10 -2.78 0.11 0.00 -1.64 0.00 0.00 33.01 28.60 2k45 s GLN 70 CO -0.19 0.31 0.20 -0.06 0.50 0.00 0.00 175.29 176.05 2k45 s PHE 71 N 0.14 3.58 0.48 1.67 0.40 -1.20 -2.81 117.98 120.25 2k45 s PHE 71 Ca -0.03 -2.39 0.00 0.00 -0.60 0.00 0.00 56.93 53.91 2k45 s PHE 71 Cb -0.14 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 40.20 2k45 s PHE 71 CO 0.03 -0.97 0.00 -2.37 0.70 0.00 0.00 175.22 172.62 2k45 n THR 72 N 4.60 -5.75 -4.20 0.64 5.66 -1.25 -4.71 114.28 109.27 2k45 n THR 72 Ca -0.03 2.64 -0.34 0.00 -3.05 0.00 0.00 64.05 63.28 2k45 n THR 72 Cb 0.41 -3.54 -0.14 0.00 -1.55 0.00 0.00 70.33 65.51 2k45 n THR 72 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2k45 s PHE 73 N -2.82 2.89 -1.29 1.09 0.40 0.10 -4.78 117.98 113.58 2k45 s PHE 73 Ca 0.00 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.22 2k45 s PHE 73 Cb 0.00 -2.00 0.04 0.00 0.51 0.00 0.00 43.02 41.57 2k45 s PHE 73 CO 0.00 -0.47 1.81 1.63 0.70 0.00 0.00 175.22 178.89 2k45 n LYS 74 N 4.36 2.92 -3.70 0.44 4.76 -1.26 -1.38 118.16 124.30 2k45 n LYS 74 Ca -0.19 -3.09 -0.15 0.00 -2.87 0.00 0.00 58.31 52.02 2k45 n LYS 74 Cb 0.51 -3.51 -0.15 0.00 -1.84 0.00 0.00 35.03 30.05 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k45 s VAL 75 N 5.16 -0.20 0.69 -0.18 0.11 -1.26 -4.31 120.40 120.40 2k45 s VAL 75 Ca 0.56 0.27 -0.17 0.00 -2.93 0.00 0.00 61.98 59.71 2k45 s VAL 75 Cb 0.04 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2k45 s VAL 75 CO 0.08 0.11 1.03 -2.65 -3.33 0.00 0.00 175.10 170.34 2k45 n PRO 76 N 4.88 0.68 -0.03 1.54 -0.02 -0.53 -2.75 135.00 138.77 2k45 n PRO 76 Ca -0.14 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 2k45 n PRO 76 Cb 0.51 -2.27 0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2k45 n PRO 76 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2k45 h TYR 77 N 0.00 0.81 -0.59 6.00 3.20 -1.95 0.90 116.97 125.35 2k45 h TYR 77 Ca -0.48 -0.25 0.03 0.00 3.14 0.00 0.00 58.73 61.17 2k45 h TYR 77 Cb 1.34 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 2k45 h TYR 77 CO 0.40 0.99 0.39 1.03 -1.64 0.00 0.00 178.16 179.33 2k45 h SER 78 N 0.54 0.60 1.35 -2.11 0.87 -1.97 -1.99 113.55 110.83 2k45 h SER 78 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2k45 h SER 78 Cb 0.99 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2k45 h SER 78 CO 0.09 0.41 -0.44 -0.33 -0.53 0.00 0.00 176.83 176.03 2k45 h GLU 79 N 0.69 0.00 -0.93 2.24 5.08 -1.50 -3.29 114.58 116.87 2k45 h GLU 79 Ca 0.23 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2k45 h GLU 79 Cb 0.07 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2k45 h GLU 79 CO -0.06 0.00 0.61 1.25 -1.00 0.00 0.00 179.01 179.80 2k45 h LEU 80 N 0.00 0.97 -0.98 1.33 6.46 0.16 -2.46 115.31 120.79 2k45 h LEU 80 Ca 0.00 -0.00 0.29 0.00 -0.12 0.00 0.00 57.88 58.05 2k45 h LEU 80 Cb 0.89 -0.21 -0.18 0.00 -0.73 0.00 0.00 40.66 40.43 2k45 h LEU 80 CO 0.00 0.65 0.13 1.23 -0.62 0.00 0.00 178.44 179.82 2k45 h GLY 81 N 1.12 1.41 1.02 3.75 0.00 -1.63 0.17 103.07 108.91 2k45 h GLY 81 Ca 0.38 0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.66 2k45 h GLY 81 CO -0.13 -0.55 -0.41 -1.33 0.00 0.00 0.00 176.54 174.13 2k45 h GLY 82 N 0.03 0.82 -5.64 4.60 0.00 -1.71 -3.44 103.07 97.72 2k45 h GLY 82 Ca 0.63 -0.92 -0.61 0.00 0.00 0.00 0.00 47.33 46.44 2k45 h GLY 82 CO -0.87 0.82 -0.32 0.54 0.00 0.00 0.00 176.54 176.71 2k45 s LYS 83 N -4.19 4.03 -0.23 4.80 -0.14 0.59 -5.02 119.74 119.58 2k45 s LYS 83 Ca -0.12 0.14 -0.08 0.00 -1.36 0.00 0.00 55.97 54.55 2k45 s LYS 83 Cb 0.09 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2k45 s LYS 83 CO 0.85 0.44 0.09 0.95 -0.76 0.00 0.00 175.35 176.92 2k45 s THR 84 N -0.16 4.70 -0.02 2.17 -4.23 -1.26 -3.40 115.64 113.43 2k45 s THR 84 Ca 0.18 -0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.40 2k45 s THR 84 Cb -0.14 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 2k45 s THR 84 CO 0.06 0.37 0.71 -0.76 -0.54 0.00 0.00 174.62 174.46 2k45 s LEU 85 N 1.15 4.37 -0.01 4.79 1.02 0.69 -1.03 118.68 129.66 2k45 s LEU 85 Ca 0.05 1.27 0.06 0.00 0.02 0.00 0.00 54.13 55.53 2k45 s LEU 85 Cb -0.14 -3.11 -0.02 0.00 0.02 0.00 0.00 46.19 42.94 2k45 s LEU 85 CO 0.04 -0.05 -0.21 0.68 0.02 0.00 0.00 176.35 176.84 2k45 s VAL 86 N 0.40 1.63 0.01 -1.59 -7.23 0.16 0.26 120.40 114.04 2k45 s VAL 86 Ca 0.37 -0.92 0.09 0.00 -1.81 0.00 0.00 61.98 59.70 2k45 s VAL 86 Cb -0.19 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 2k45 s VAL 86 CO 0.19 0.42 -0.26 0.00 -0.31 0.00 0.00 175.10 175.15 2k45 s MET 87 N -0.58 1.97 -0.26 4.82 0.23 -0.38 -1.36 119.30 123.74 2k45 s MET 87 Ca 0.08 -1.01 -0.03 0.00 -1.03 0.00 0.00 55.69 53.69 2k45 s MET 87 Cb -0.08 -2.02 0.09 0.00 -1.53 0.00 0.00 34.83 31.29 2k45 s MET 87 CO -0.00 0.54 0.10 0.00 -2.03 0.00 0.00 175.02 173.63 2k45 s ALA 88 N -0.71 0.85 -0.32 3.16 0.00 0.16 -0.59 121.76 124.30 2k45 s ALA 88 Ca 0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 2k45 s ALA 88 Cb -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2k45 s ALA 88 CO 0.01 -1.50 1.28 0.08 0.00 0.00 0.00 175.76 175.62 2k45 s VAL 89 N 1.96 4.17 -0.08 0.00 1.01 0.11 0.10 120.40 127.67 2k45 s VAL 89 Ca 0.07 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2k45 s VAL 89 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2k45 s VAL 89 CO -0.25 -0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 173.91 2k45 s TYR 90 N 4.39 2.86 -0.43 5.22 1.51 0.25 -2.07 117.35 129.08 2k45 s TYR 90 Ca 0.55 -0.18 -0.18 0.00 -1.01 0.00 0.00 57.07 56.25 2k45 s TYR 90 Cb -0.15 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2k45 s TYR 90 CO 0.24 0.16 0.48 0.34 -1.11 0.00 0.00 175.55 175.65 2k45 s ASP 91 N -0.45 6.21 -0.97 2.29 -1.08 -1.26 -1.58 116.67 119.85 2k45 s ASP 91 Ca 0.06 -0.66 -0.14 0.00 -0.52 0.00 0.00 52.55 51.29 2k45 s ASP 91 Cb -0.12 -2.24 0.21 0.00 -1.46 0.00 0.00 42.92 39.31 2k45 s ASP 91 CO 0.02 -0.63 1.02 0.72 0.52 0.00 0.00 175.17 176.81 2k45 s PHE 92 N 2.25 3.73 0.00 -5.34 -0.71 -1.15 -2.35 117.98 114.41 2k45 s PHE 92 Ca 0.14 -2.07 0.00 0.00 -1.04 0.00 0.00 56.93 53.96 2k45 s PHE 92 Cb -0.17 -3.98 0.00 0.00 -1.21 0.00 0.00 43.02 37.66 2k45 s PHE 92 CO 0.14 -1.14 0.00 -3.47 -1.34 0.00 0.00 175.22 169.42 2k45 n ASP 93 N 4.39 3.07 0.00 1.98 -0.08 -1.03 -4.34 116.55 120.55 2k45 n ASP 93 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2k45 n ASP 93 Cb 0.45 0.22 0.00 0.00 2.34 0.00 0.00 41.12 44.13 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k45 n ARG 94 N -1.70 0.00 0.00 -0.67 1.74 -1.26 -3.35 116.66 111.41 2k45 n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2k45 n ARG 94 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N 0.00 -0.24 -1.08 -1.55 7.35 -1.26 -4.99 117.46 115.68 2k45 n PHE 95 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2k45 n PHE 95 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.88 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k45 n SER 96 N -1.26 0.00 -4.65 -2.13 3.41 -1.21 -5.01 113.62 102.76 2k45 n SER 96 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2k45 n SER 96 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2k45 n SER 96 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2k45 s LYS 97 N 3.02 4.03 0.41 4.33 -2.85 -1.26 -2.46 119.74 124.96 2k45 s LYS 97 Ca 0.00 2.40 -0.22 0.00 -1.00 0.00 0.00 55.97 57.15 2k45 s LYS 97 Cb 0.00 -4.14 -0.11 0.00 -2.06 0.00 0.00 37.83 31.53 2k45 s LYS 97 CO 0.00 -1.07 0.96 -1.58 0.10 0.00 0.00 175.35 173.76 2k45 s HIS 98 N 4.79 3.39 0.54 1.78 2.46 -0.99 -4.52 115.29 122.73 2k45 s HIS 98 Ca 0.85 1.65 -0.21 0.00 0.47 0.00 0.00 55.06 57.82 2k45 s HIS 98 Cb -0.38 -2.88 -0.05 0.00 -0.13 0.00 0.00 32.58 29.13 2k45 s HIS 98 CO 0.37 -0.08 1.23 0.34 -2.47 0.00 0.00 174.74 174.14 2k45 s ASP 99 N -2.02 5.53 0.30 9.88 2.15 -1.25 -3.98 116.67 127.27 2k45 s ASP 99 Ca 0.59 2.46 -0.30 0.00 0.43 0.00 0.00 52.55 55.74 2k45 s ASP 99 Cb -0.12 -2.61 -0.12 0.00 -0.30 0.00 0.00 42.92 39.77 2k45 s ASP 99 CO 0.16 -1.37 1.52 0.00 -0.17 0.00 0.00 175.17 175.32 2k45 n ILE 100 N -1.08 1.23 0.02 4.11 3.06 -1.26 -4.01 119.36 121.43 2k45 n ILE 100 Ca 0.11 -0.31 -0.20 0.00 -2.50 0.00 0.00 62.75 59.85 2k45 n ILE 100 Cb 0.48 -1.85 -0.14 0.00 0.54 0.00 0.00 39.64 38.67 2k45 n ILE 100 CO 0.00 0.00 0.00 0.16 -2.50 0.00 0.00 176.55 174.21 2k45 h ILE 101 N 3.17 1.37 -2.61 9.51 3.07 -1.74 -3.47 117.51 126.82 2k45 h ILE 101 Ca -0.47 -2.47 0.14 0.00 1.55 0.00 0.00 64.86 63.61 2k45 h ILE 101 Cb 1.24 3.04 -0.03 0.00 -0.27 0.00 0.00 36.82 40.80 2k45 h ILE 101 CO 0.75 0.69 0.56 -0.83 -1.05 0.00 0.00 178.15 178.27 2k45 s GLY 102 N -4.58 0.17 0.14 0.16 0.00 -0.95 -3.89 107.32 98.37 2k45 s GLY 102 Ca -0.17 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.88 2k45 s GLY 102 CO 0.79 2.37 0.76 -1.83 0.00 0.00 0.00 173.10 175.20 2k45 s GLU 103 N -2.10 1.25 0.16 2.90 -1.05 0.36 0.06 118.70 120.28 2k45 s GLU 103 Ca 0.22 -0.57 -0.09 0.00 -0.15 0.00 0.00 54.97 54.38 2k45 s GLU 103 Cb -0.03 0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2k45 s GLU 103 CO 0.06 -0.56 0.28 0.12 0.95 0.00 0.00 175.26 176.12 2k45 s PHE 104 N -3.54 0.34 -0.02 4.83 5.36 0.24 0.12 117.98 125.32 2k45 s PHE 104 Ca 0.06 -0.71 0.06 0.00 -0.96 0.00 0.00 56.93 55.38 2k45 s PHE 104 Cb -0.02 -0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.60 2k45 s PHE 104 CO -0.05 -0.70 -0.20 0.15 -1.46 0.00 0.00 175.22 172.96 2k45 s LYS 105 N -3.95 2.24 -0.39 10.12 3.01 -1.26 -1.25 119.74 128.26 2k45 s LYS 105 Ca 0.15 -0.86 0.01 0.00 -1.01 0.00 0.00 55.97 54.27 2k45 s LYS 105 Cb 0.03 -2.21 0.14 0.00 -1.01 0.00 0.00 37.83 34.79 2k45 s LYS 105 CO -0.02 0.58 0.23 0.08 0.51 0.00 0.00 175.35 176.73 2k45 s VAL 106 N -0.74 0.70 -0.00 3.17 1.01 0.14 -4.97 120.40 119.71 2k45 s VAL 106 Ca 0.12 -2.10 -0.26 0.00 0.00 0.00 0.00 61.98 59.73 2k45 s VAL 106 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2k45 s VAL 106 CO 0.01 -0.95 0.83 -2.16 0.00 0.00 0.00 175.10 172.83 2k45 s PRO 107 N 0.73 4.51 0.23 2.72 0.04 -1.26 -0.22 135.00 141.76 2k45 s PRO 107 Ca 0.18 1.15 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 2k45 s PRO 107 Cb -0.23 -3.42 0.26 0.00 0.04 0.00 0.00 34.50 31.15 2k45 s PRO 107 CO 0.00 0.10 1.87 0.00 0.04 0.00 0.00 177.00 179.01 2k45 h MET 108 N 6.40 1.03 0.00 4.56 -0.00 -1.83 -2.44 114.93 122.64 2k45 h MET 108 Ca -0.42 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.70 59.18 2k45 h MET 108 Cb 1.21 -0.23 -0.01 0.00 -0.00 0.00 0.00 31.60 32.57 2k45 h MET 108 CO 0.74 0.68 -0.17 -0.91 -0.00 0.00 0.00 176.91 177.25 2k45 h ASN 109 N 1.06 0.00 0.43 -0.10 2.35 -1.83 -2.99 115.58 114.50 2k45 h ASN 109 Ca 0.34 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.83 2k45 h ASN 109 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 2k45 h ASN 109 CO -0.12 0.17 -1.78 0.35 -1.65 0.00 0.00 177.43 174.41 2k45 n THR 110 N -3.32 1.38 -3.35 2.81 -2.24 -0.95 -4.81 114.28 103.80 2k45 n THR 110 Ca 0.00 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.61 2k45 n THR 110 Cb 0.41 -0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k45 s VAL 111 N -2.71 5.12 -0.31 2.28 1.01 -1.02 -5.04 120.40 119.73 2k45 s VAL 111 Ca -0.05 0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 2k45 s VAL 111 Cb 0.08 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2k45 s VAL 111 CO 0.83 -0.07 0.95 1.51 0.00 0.00 0.00 175.10 178.31 2k45 s ASP 112 N 1.72 6.81 -0.91 3.32 -4.77 -1.26 -4.85 116.67 116.73 2k45 s ASP 112 Ca 0.15 0.87 -0.00 0.00 -3.30 0.00 0.00 52.55 50.27 2k45 s ASP 112 Cb -0.16 -2.48 0.30 0.00 -1.09 0.00 0.00 42.92 39.48 2k45 s ASP 112 CO 0.12 -0.77 1.28 0.49 0.70 0.00 0.00 175.17 176.99 2k45 n PHE 113 N 6.58 2.83 0.04 2.11 3.72 -1.26 -4.82 117.46 126.66 2k45 n PHE 113 Ca 0.08 -3.12 -0.07 0.00 -0.05 0.00 0.00 57.45 54.29 2k45 n PHE 113 Cb 0.47 -0.99 -0.05 0.00 -0.94 0.00 0.00 39.48 37.98 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k45 h GLY 114 N 4.75 -0.21 0.00 1.37 0.00 -1.95 -3.44 103.07 103.58 2k45 h GLY 114 Ca 0.24 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2k45 h GLY 114 CO 1.14 -0.08 0.00 1.42 0.00 0.00 0.00 176.54 179.02 2k45 n HIS 115 N -4.89 0.00 -4.01 5.60 8.25 -1.26 -4.73 115.22 114.17 2k45 n HIS 115 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 2k45 n HIS 115 Cb 0.19 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.16 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k45 s VAL 116 N 1.57 3.33 -0.16 1.59 -7.23 -1.25 -3.57 120.40 114.68 2k45 s VAL 116 Ca 0.00 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 2k45 s VAL 116 Cb 0.00 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2k45 s VAL 116 CO 0.00 0.44 0.42 -0.89 -0.31 0.00 0.00 175.10 174.76 2k45 s THR 117 N 1.32 5.21 -0.19 5.32 2.01 0.19 -4.84 115.64 124.66 2k45 s THR 117 Ca 0.04 0.79 -0.04 0.00 0.31 0.00 0.00 61.69 62.79 2k45 s THR 117 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2k45 s THR 117 CO -0.03 0.30 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.58 2k45 s GLU 118 N 0.90 3.59 0.26 4.92 2.02 -1.26 0.48 118.70 129.62 2k45 s GLU 118 Ca 0.22 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.62 2k45 s GLU 118 Cb -0.15 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 2k45 s GLU 118 CO 0.08 0.05 0.35 -1.83 0.02 0.00 0.00 175.26 173.93 2k45 s GLU 119 N 0.87 1.54 -0.65 1.61 4.04 -0.27 -5.00 118.70 120.84 2k45 s GLU 119 Ca 0.00 -1.57 -0.26 0.00 0.04 0.00 0.00 54.97 53.18 2k45 s GLU 119 Cb -0.14 0.39 -0.02 0.00 0.02 0.00 0.00 34.13 34.37 2k45 s GLU 119 CO 0.02 -0.60 1.85 1.67 -1.84 0.00 0.00 175.26 176.36 2k45 s TRP 120 N -3.77 1.70 -0.62 4.83 -0.00 -1.26 -4.17 118.94 115.64 2k45 s TRP 120 Ca 0.31 0.74 -0.18 0.00 -0.00 0.00 0.00 56.10 56.98 2k45 s TRP 120 Cb 0.02 -4.10 0.12 0.00 -0.00 0.00 0.00 33.47 29.51 2k45 s TRP 120 CO 0.14 -2.24 0.69 -0.98 -0.00 0.00 0.00 176.95 174.56 2k45 s ARG 121 N 6.99 3.12 0.01 3.25 3.03 -1.20 -4.72 118.95 129.43 2k45 s ARG 121 Ca 0.66 -1.56 0.07 0.00 2.03 0.00 0.00 55.73 56.94 2k45 s ARG 121 Cb -0.12 -4.33 -0.03 0.00 -1.03 0.00 0.00 34.95 29.45 2k45 s ARG 121 CO 0.18 -1.48 -0.22 -0.51 -1.13 0.00 0.00 175.30 172.14 2k45 s ASP 122 N 3.48 3.47 -0.25 -2.89 1.01 -1.26 -3.56 116.67 116.66 2k45 s ASP 122 Ca 0.11 -0.43 -0.12 0.00 0.71 0.00 0.00 52.55 52.82 2k45 s ASP 122 Cb -0.23 -0.50 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 2k45 s ASP 122 CO 0.03 0.29 0.23 -0.22 0.21 0.00 0.00 175.17 175.71 2k45 s LEU 123 N -1.00 4.08 -0.03 1.23 1.98 -0.57 -3.66 118.68 120.71 2k45 s LEU 123 Ca 0.12 0.14 -0.06 0.00 -2.89 0.00 0.00 54.13 51.44 2k45 s LEU 123 Cb -0.10 -2.21 -0.04 0.00 0.66 0.00 0.00 46.19 44.50 2k45 s LEU 123 CO 0.02 -0.03 0.22 0.00 -1.89 0.00 0.00 176.35 174.66 2k45 s GLN 124 N 1.48 3.51 -0.19 1.98 -2.07 0.32 -3.37 119.66 121.33 2k45 s GLN 124 Ca 0.10 -0.15 -0.32 0.00 -1.82 0.00 0.00 55.36 53.18 2k45 s GLN 124 Cb -0.15 -3.12 -0.09 0.00 -1.09 0.00 0.00 33.01 28.57 2k45 s GLN 124 CO 0.08 0.69 2.11 -1.13 -1.32 0.00 0.00 175.29 175.72 2k45 n SER 125 N 1.30 3.14 -4.87 12.60 3.41 -1.26 0.13 113.62 128.07 2k45 n SER 125 Ca -0.13 0.52 -0.37 0.00 -0.26 0.00 0.00 58.87 58.62 2k45 n SER 125 Cb 0.53 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.99 2k45 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k45 s ALA 126 N 6.63 3.85 -0.56 7.33 0.00 -1.25 -4.79 121.76 132.97 2k45 s ALA 126 Ca 1.00 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.44 2k45 s ALA 126 Cb -0.56 -2.04 0.19 0.00 0.00 0.00 0.00 23.12 20.71 2k45 s ALA 126 CO 0.43 0.60 0.49 -0.85 0.00 0.00 0.00 175.76 176.44 2k45 n GLU 127 N 1.89 1.27 0.00 0.00 -0.00 -1.26 -4.66 120.64 117.88 2k45 n GLU 127 Ca -0.18 -3.93 0.00 0.00 -0.00 0.00 0.00 57.16 53.04 2k45 n GLU 127 Cb 0.54 -1.94 0.00 0.00 -0.00 0.00 0.00 31.44 30.04 2k45 n GLU 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76